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Home > Imidazoles > 92806-98-9
92806-98-9 | 5-HYDROXY-2-MERCAPTO-BENZIMIDAZOLE
CAS No: 92806-98-9 Catalog No: AG00GWXW MDL No:MFCD04117895
Product Description
Catalog Number:
AG00GWXW
Chemical Name:
5-HYDROXY-2-MERCAPTO-BENZIMIDAZOLE
CAS Number:
92806-98-9
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
MDL Number:
MFCD04117895
IUPAC Name:
5-hydroxy-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C7H6N2OS/c10-4-1-2-5-6(3-4)9-7(11)8-5/h1-3,10H,(H2,8,9,11)
InChI Key:
DFKVVBOVTVBURY-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)nc([nH]2)S
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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